Incarviatone A, a structurally unique natural product hybrid with a new carbon skeleton from Incarvillea delavayi, and its absolute configuration via calculated electronic circular dichroic spectra

Abstract

A phytochemical investigation of Incarvillea delavayi led to the isolation of incarviatone A (1), a structurally unique natural product hybrid with a new carbon skeleton. The structure of 1 was elucidated by spectroscopic analysis, and its absolute configuration was determined by a combination of biogenesis consideration, NOESY experiments, and quantum chemical computational modeling of electronic circular dichroism (ECD).